8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione (CAS 879470-75-4) is a chemical compound with molecular formula C13H13BrN6O2S and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: AB01127932-02, 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione, 8-bromo-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione, F2582-0094, 8-bromo-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C13H13BrN6O2S |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 1.1582 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.0004 |
| Heavy Atoms | 23 |
| Complexity | 948.7385 |
Chemical Identifiers
| CAS Number | 879470-75-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC3=NC=CC=N3 |
Product Overview
8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione (CAS 879470-75-4), with molecular formula C13H13BrN6O2S and molecular weight 396.00 g/mol. IUPAC: 8-bromo-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.1582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione is 879470-75-4.
What is the molecular formula of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione is C13H13BrN6O2S.
What is the molecular weight of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione is 396.00 g/mol.
Where can I buy 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.